--- trunk/OOPSE/libmdtools/SimInfo.cpp	2003/04/04 19:16:11	457
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2003/04/04 19:47:19	458
@@ -16,6 +16,8 @@ SimInfo::SimInfo(){
   n_constraints = 0;
   n_oriented = 0;
   n_dipoles = 0;
+  ndf = 0;
+  ndfRaw = 0;
   the_integrator = NULL;
   setTemp = 0;
   thermalTime = 0.0;
@@ -44,7 +46,38 @@ void SimInfo::getBox(double theBox[3]) {
   theBox[1] = box_y;
   theBox[2] = box_z;
 }
+ 
+int SimInfo::getNDF(){
+  int ndf_local, ndf;
   
+  ndf_local = 3 * n_atoms + 3 * n_oriented - n_constraints;
+
+#ifdef IS_MPI
+  MPI_Allreduce(&ndf_local,&ndf,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
+#else
+  ndf = ndf_local;
+#endif
+
+  ndf = ndf - 3;
+
+  return ndf;
+}
+
+int SimInfo::getNDFraw() {
+  int ndfRaw_local, ndfRaw;
+
+  // Raw degrees of freedom that we have to set
+  ndfRaw_local = 3 * n_atoms + 3 * n_oriented;
+  
+#ifdef IS_MPI
+  MPI_Allreduce(&ndfRaw_local,&ndfRaw,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
+#else
+  ndfRaw = ndfRaw_local;
+#endif
+
+  return ndfRaw;
+}
+ 
 void SimInfo::refreshSim(){
 
   simtype fInfo;
@@ -102,5 +135,9 @@ void SimInfo::refreshSim(){
 	   "succesfully sent the simulation information to fortran.\n");
   MPIcheckPoint();
 #endif // is_mpi
+
+  ndf = this->getNDF();
+  ndfRaw = this->getNDFraw();
+
 }